2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C16H16BrN5O3S MolecularWeight: 438.29894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3C(=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C16H16BrN5O3S/c1-8-3-4-10-11(6-18)16(26-12(10)5-8)19-13(23)7-21-9(2)14(17)15(20-21)22(24)25/h8H,3-5,7H2,1-2H3,(H,19,23)